[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-keto-2-[4-(4-methoxyphenyl)sulfonylpiperazino]ethyl]-methyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O4S/c1-22(16-18-6-4-3-5-7-18)17-21(25)23-12-14-24(15-13-23)29(26,27)20-10-8-19(28-2)9-11-20/h3-11H,12-17H2,1-2H3/p+1